2VXY
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![BU of 2vxy by Molmil](/molmil-images/mine/2vxy) | The structure of FTsZ from Bacillus subtilis at 1.7A resolution | Descriptor: | CELL DIVISION PROTEIN FTSZ, CITRIC ACID, POTASSIUM ION | Authors: | Barynin, V.V, Baker, P.J, Rice, D.W, Sedelnikova, S.E, Haydon, D.J, Stokes, N.R, Ure, R, Galbraith, G, Bennett, J.M, Brown, D.R, Heal, J.R, Sheridan, J.M, Aiwale, S.T, Chauhan, P.K, Srivastava, A, Taneja, A, Collins, I, Errington, J, Czaplewski, L.G. | Deposit date: | 2008-07-15 | Release date: | 2008-09-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | An Inhibitor of Ftsz with Potent and Selective Anti-Staphylococcal Activity. Science, 321, 2008
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6ZT9
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![BU of 6zt9 by Molmil](/molmil-images/mine/6zt9) | X-ray structure of mutated arabinofuranosidase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R. | Deposit date: | 2020-07-17 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase. N Biotechnol, 62, 2021
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6ZTA
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![BU of 6zta by Molmil](/molmil-images/mine/6zta) | X-ray structure of mutated arabinofuranosidase | Descriptor: | Alpha-L-arabinofuranosidase | Authors: | Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R. | Deposit date: | 2020-07-17 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase. N Biotechnol, 62, 2021
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6ZT8
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![BU of 6zt8 by Molmil](/molmil-images/mine/6zt8) | X-ray structure of mutated arabinofuranosidase | Descriptor: | Alpha-L-arabinofuranosidase, CHLORIDE ION, PENTAETHYLENE GLYCOL, ... | Authors: | Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R. | Deposit date: | 2020-07-17 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase. N Biotechnol, 62, 2021
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6ZT6
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![BU of 6zt6 by Molmil](/molmil-images/mine/6zt6) | X-ray structure of mutated arabinofuranosidase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-L-arabinofuranosidase | Authors: | Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R. | Deposit date: | 2020-07-17 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase. N Biotechnol, 62, 2021
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6ZT7
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![BU of 6zt7 by Molmil](/molmil-images/mine/6zt7) | X-ray structure of mutated arabinofuranosidase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R. | Deposit date: | 2020-07-17 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase. N Biotechnol, 62, 2021
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2CAL
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![BU of 2cal by Molmil](/molmil-images/mine/2cal) | Crystal structure of His143Met rusticyanin | Descriptor: | COPPER (I) ION, RUSTICYANIN | Authors: | Barrett, M.L, Harvey, I, Sundararajan, M, Surendran, R, Hall, J.F, Ellis, M.J, Hough, M.A, Strange, R.W, Hillier, I.H, Hasnain, S.S. | Deposit date: | 2005-12-21 | Release date: | 2006-01-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Atomic Resolution Crystal Structures, Exafs, and Quantum Chemical Studies of Rusticyanin and its Two Mutants Provide Insight Into its Unusual Properties. Biochemistry, 45, 2006
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2CAK
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![BU of 2cak by Molmil](/molmil-images/mine/2cak) | 1.27Angstrom Structure of Rusticyanin from Thiobacillus ferrooxidans | Descriptor: | COPPER (I) ION, RUSTICYANIN | Authors: | Barrett, M.L, Harvey, I, Sundararajan, M, Surendran, R, Hall, J.F, Ellis, M.J, Hough, M.A, Strange, R.W, Hillier, I.H, Hasnain, S.S. | Deposit date: | 2005-12-21 | Release date: | 2006-03-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Atomic Resolution Crystal Structures, Exafs, and Quantum Chemical Studies of Rusticyanin and its Two Mutants Provide Insight Into its Unusual Properties. Biochemistry, 45, 2006
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6NWS
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![BU of 6nws by Molmil](/molmil-images/mine/6nws) | RORgamma Ligand Binding Domain | Descriptor: | 2-chloro-6-fluoro-N-(1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indol-6-yl)benzamide, Nuclear receptor ROR-gamma | Authors: | Strutzenberg, T.S, Park, H.J, Griffin, P.R. | Deposit date: | 2019-02-07 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | HDX-MS reveals structural determinants for ROR gamma hyperactivation by synthetic agonists. Elife, 8, 2019
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6NWU
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![BU of 6nwu by Molmil](/molmil-images/mine/6nwu) | RORgamma Ligand Binding Domain | Descriptor: | 6-[(3,5-dichloropyridin-4-yl)methoxy]-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indole, Nuclear receptor ROR-gamma | Authors: | Strutzenberg, T.S, Park, H, Griffin, P.R. | Deposit date: | 2019-02-07 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | HDX-MS reveals structural determinants for ROR gamma hyperactivation by synthetic agonists. Elife, 8, 2019
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6NWT
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![BU of 6nwt by Molmil](/molmil-images/mine/6nwt) | RORgamma Ligand Binding Domain | Descriptor: | 1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol, Nuclear receptor ROR-gamma | Authors: | Strutzenberg, T.S, Park, H, Griffin, P.R. | Deposit date: | 2019-02-07 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | HDX-MS reveals structural determinants for ROR gamma hyperactivation by synthetic agonists. Elife, 8, 2019
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6TKX
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![BU of 6tkx by Molmil](/molmil-images/mine/6tkx) | Carbohydrate esterase from gut microbiota | Descriptor: | Carbohydrate esterase, SULFATE ION | Authors: | Penttinen, L, Hakulinen, N, Master, R.E. | Deposit date: | 2019-11-29 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Polysaccharide utilization loci-driven enzyme discovery reveals BD-FAE: a bifunctional feruloyl and acetyl xylan esterase active on complex natural xylans. Biotechnol Biofuels, 14, 2021
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6GY2
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![BU of 6gy2 by Molmil](/molmil-images/mine/6gy2) | |
8OI4
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![BU of 8oi4 by Molmil](/molmil-images/mine/8oi4) | Metagenomic Beta-galactosidase from Glycoside Hydrolase family GH154 | Descriptor: | Beta-galactosidase, CHLORIDE ION, GLYCEROL | Authors: | Pijning, T, Hameleers, L, Jurak, E, Guskov, A. | Deposit date: | 2023-03-22 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Novel beta-galactosidase activity and first crystal structure of Glycoside Hydrolase family 154. N Biotechnol, 80, 2023
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6XYC
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![BU of 6xyc by Molmil](/molmil-images/mine/6xyc) | Truncated form of carbohydrate esterase from gut microbiota | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, Acetyl xylan esterase | Authors: | Penttinen, L, Hakulinen, N, Master, E. | Deposit date: | 2020-01-30 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Polysaccharide utilization loci-driven enzyme discovery reveals BD-FAE: a bifunctional feruloyl and acetyl xylan esterase active on complex natural xylans. Biotechnol Biofuels, 14, 2021
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7TOG
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![BU of 7tog by Molmil](/molmil-images/mine/7tog) | Crystal structure of carbohydrate esterase PbeAcXE, apoenzyme | Descriptor: | SGNH hydrolase | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E. | Deposit date: | 2022-01-24 | Release date: | 2022-04-13 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans. Molecules, 27, 2022
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7TOK
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![BU of 7tok by Molmil](/molmil-images/mine/7tok) | Crystal structure of the CBM domain of carbohydrate esterase FjoAcXE | Descriptor: | Acetylxylan esterase I | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E. | Deposit date: | 2022-01-24 | Release date: | 2022-04-13 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans. Molecules, 27, 2022
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7TOI
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![BU of 7toi by Molmil](/molmil-images/mine/7toi) | Crystal structure of carbohydrate esterase PbeAcXE, in complex with acetate | Descriptor: | ACETATE ION, SGNH hydrolase | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E. | Deposit date: | 2022-01-24 | Release date: | 2022-04-13 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans. Molecules, 27, 2022
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7TOJ
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![BU of 7toj by Molmil](/molmil-images/mine/7toj) | Crystal structure of carbohydrate esterase CspAcXE, apoenzyme | Descriptor: | CHLORIDE ION, SGNH/GDSL hydrolase family protein | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E. | Deposit date: | 2022-01-24 | Release date: | 2022-04-13 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans. Molecules, 27, 2022
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7TOH
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![BU of 7toh by Molmil](/molmil-images/mine/7toh) | Crystal structure of carbohydrate esterase PbeAcXE, in complex with MeGlcpA-Xylp | Descriptor: | 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose, SGNH hydrolase | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E. | Deposit date: | 2022-01-24 | Release date: | 2022-04-13 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans. Molecules, 27, 2022
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4NRT
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![BU of 4nrt by Molmil](/molmil-images/mine/4nrt) | Human Norovirus polymerase bound to Compound 6 (suramin derivative) | Descriptor: | 4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid, hNV-RdRp | Authors: | Croci, R, Pezzullo, M, Tarantino, D, Mastrangelo, E, Milani, M, Bolognesi, M. | Deposit date: | 2013-11-27 | Release date: | 2014-10-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.022 Å) | Cite: | Structural bases of norovirus RNA dependent RNA polymerase inhibition by novel suramin-related compounds. Plos One, 9, 2014
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4NRU
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![BU of 4nru by Molmil](/molmil-images/mine/4nru) | Murine Norovirus RNA-dependent-RNA-polymerase in complex with Compound 6, a suramin derivative | Descriptor: | 4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid, MAGNESIUM ION, RNA dependent RNA polymerase | Authors: | Milani, M, Croci, R, Pezzullo, M, Tarantino, D, Mastrangelo, E, Bolognesi, M. | Deposit date: | 2013-11-27 | Release date: | 2014-10-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural bases of norovirus RNA dependent RNA polymerase inhibition by novel suramin-related compounds. Plos One, 9, 2014
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4RN4
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![BU of 4rn4 by Molmil](/molmil-images/mine/4rn4) | Human Carbonic anhydrases II in complex with a acetazolamide derivative comprising one hydrophobic and one hydrophilic tail moiety | Descriptor: | 2-({[1-(beta-D-glucopyranosyl)-1H-1,2,3-triazol-4-yl]methyl}[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]amino)-5-sulfamoyl-1,3,4-thiadiazole, Carbonic anhydrase 2, FORMIC ACID, ... | Authors: | Ren, B, Tanpure, R, Peat, T.S, Bornaghi, L.F, Vullo, D, Supuran, C.T, Poulsen, S. | Deposit date: | 2014-10-22 | Release date: | 2015-01-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Carbonic anhydrase inhibitors with dual-tail moieties to match the hydrophobic and hydrophilic halves of the carbonic anhydrase active site. J.Med.Chem., 58, 2015
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5TO8
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![BU of 5to8 by Molmil](/molmil-images/mine/5to8) | Selectivity switch between FAK and Pyk2: Macrocyclization of FAK inhibitors improves Pyk2 potency | Descriptor: | 25-(methylsulfonyl)-8-(trifluoromethyl)-5,17,18,21,22,23,24,25-octahydro-12H-7,11-(azeno)-16,13-(metheno)pyrido[3,2-i]pyrrolo[1,2-q][1,3,7,11,17]pentaazacyclohenicosin-20(6H)-one, Protein-tyrosine kinase 2-beta | Authors: | Newby, Z.E. | Deposit date: | 2016-10-17 | Release date: | 2016-12-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9849 Å) | Cite: | Selectivity switch between FAK and Pyk2: Macrocyclization of FAK inhibitors improves Pyk2 potency. Bioorg. Med. Chem. Lett., 26, 2016
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5TOB
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![BU of 5tob by Molmil](/molmil-images/mine/5tob) | |